5X7H

Crystal Structure of Paenibacillus sp. 598K cycloisomaltooligosaccharide glucanotransferase complexed with cycloisomaltoheptaose

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A	Cycloisomaltooligosaccharide glucanotransferase	polymer	720	80618.5	1	UniProt (G9MBW2) Pfam (PF13199) Pfam (PF16990) In PDB	Paenibacillus sp. 598K
2	B, C	alpha-D-glucopyranose-(1-6)-alpha-D-glucopyranose-(1-6)-alpha-D-glucopyranose-(1-6)-alpha-D-glucopyranose-(1-6)-alpha-D-glucopyranose-(1-6)-alpha-D-glucopyranose-(1-6)-alpha-D-glucopyranose	branched		1153.0	2	In PDB GlyTouCan (G08843CO)
3	D	alpha-D-glucopyranose-(1-6)-alpha-D-glucopyranose-(1-6)-alpha-D-glucopyranose	branched		504.4	1	In PDB GlyTouCan (G02998EX)
4	A	CALCIUM ION	non-polymer		40.1	2	Chemie (CA)
5	A	SODIUM ION	non-polymer		23.0	1	Chemie (NA)
6	A	MALONATE ION	non-polymer		102.0	1	Chemie (MLI)
7		water	water		18.0	266	Chemie (HOH)

Sequence modifications

A: 41 - 739 (UniProt: G9MBW2)

PDB	External Database	Details
Met 20	-	expression tag
Gly 21	-	expression tag
Ser 22	-	expression tag
Ser 23	-	expression tag
His 24	-	expression tag
His 25	-	expression tag
His 26	-	expression tag
His 27	-	expression tag
His 28	-	expression tag
His 29	-	expression tag
Ser 30	-	expression tag
Ser 31	-	expression tag
Gly 32	-	expression tag
Leu 33	-	expression tag
Val 34	-	expression tag
Pro 35	-	expression tag
Arg 36	-	expression tag
Gly 37	-	expression tag
Ser 38	-	expression tag
His 39	-	expression tag
Met 40	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	1
	Total formula weight	80618.5
Branched	Number of molecules	3
	Total formula weight	2810.4
Non-Polymers*	Number of molecules	4
	Total formula weight	205.2
All*	Total formula weight	83634.1

*Water molecules are not included.